N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide

C22H24N2O3 — CID 3129249

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H24N2O3/c1-3-4-7-19(25)24-20(16-8-11-17(27-2)12-9-16)18-13-10-15-6-5-14-23-21(15)22(18)26/h5-6,8-14,20,26H,3-4,7H2,1-2H3,(H,24,25)
InChIKeyLKSBKMAJHSOYQS-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.34
Rot. Bonds7

About N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide

N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide (PubChem CID 3129249) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide
PubChem CID3129249
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H24N2O3/c1-3-4-7-19(25)24-20(16-8-11-17(27-2)12-9-16)18-13-10-15-6-5-14-23-21(15)22(18)26/h5-6,8-14,20,26H,3-4,7H2,1-2H3,(H,24,25)
InChIKeyLKSBKMAJHSOYQS-UHFFFAOYSA-N
XLogP4.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide (CID 3129249) is N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide is CCCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide?
The InChIKey is LKSBKMAJHSOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-4-7-19(25)24-20(16-8-11-17(27-2)12-9-16)18-13-10-15-6-5-14-23-21(15)22(18)26/h5-6,8-14,20,26H,3-4,7H2,1-2H3,(H,24,25).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide?
N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide has a molecular weight of 364.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 3129249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).